PharmaPy

PharmaPy is a pythonic library for the analysis of pharmaceutical manufacturing systems.

It allows to simulate the dynamics of standalone, drug substance unit operations in a variety of operating modes (batch, continuous, semibatch). Also, PharmaPy facilitates setting up and simulating pharmaceutical flowsheets, i.e., interconnected unit operations in a variety of operation modes, ranging from end-to-end batch, end-to-end continuous, and hybrid operation (combination of batch and/or continuous and semicontinuous unit operations).

Getting started

Source code, examples and documentation sources are on GitHub.

Installation

PharmaPy is published on PyPI as pharmapy-org, and you import it as PharmaPy:

pip install pharmapy-org

import PharmaPy

The only integrator this installs is scipy's. Unit operations built on MultiPhaseVessel (the *_Refactored modules) default to ScipyBackend. Two other solver backends are optional:

• Assimulo (SUNDIALS CVode/IDA) is used by AssimuloBackend and AssimuloDAEBackend. It is also needed by the legacy unit operations that have not been refactored yet: Reactors, Crystallizers, Evaporators, Distillation, SolidLiquidSep, Containers, Drying_Model, DynamicExtraction and ThreePhaseSettler. Install it from conda-forge, because the PyPI assimulo package is outdated and has no wheels:

  conda install -c conda-forge assimulo
  

• Julia (DifferentialEquations.jl) is used by DiffeqpyBackend and needs Python 3.10 or newer:

  pip install "pharmapy-org[julia]"
  python -c "import diffeqpy; diffeqpy.install()"
  

To get a development install with every backend, clone the GitHub repository and follow install_instructions.txt. It sets up a conda environment that includes Assimulo and installs PharmaPy in editable mode.